Compound Detail
CHEMBL3647448
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Cc1ncc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(CCC(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1
Basic Information
| ChEMBL ID | CHEMBL3647448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNVXVNJRQLVPBF-CPESWEKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
6.65
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Interleukin-6 CHEMBL1795129 | IC50 | 6.54 | 6.54 | 291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 4.58 | nM | 8.34 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
| Interleukin-6 | IC50 | = | 291.0 | nM | 6.54 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
Data from ChEMBL 36 via Core Engine